1-ethylpyrazole-4-carboxamide

C6H9N3O — CID 22456653

IUPAC1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(N)=O)cn1
InChIInChI=1S/C6H9N3O/c1-2-9-4-5(3-8-9)6(7)10/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyDBKNNPVRCIDMOV-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.00
Rot. Bonds2

About 1-ethylpyrazole-4-carboxamide

1-ethylpyrazole-4-carboxamide (PubChem CID 22456653) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethylpyrazole-4-carboxamide
PubChem CID22456653
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(N)=O)cn1
InChIInChI=1S/C6H9N3O/c1-2-9-4-5(3-8-9)6(7)10/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyDBKNNPVRCIDMOV-UHFFFAOYSA-N
XLogP0.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
1-Methyl-1H-pyrazole-4-carbaldehyde
CID 573117
1-Ethyl-1H-pyrazole-4-carboxaldehyde
CID 2758900
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 3596939
1-tert-butyl-1H-pyrazole-4-carbaldehyde
CID 14510324
1-methyl-1H-pyrazole-4-carbonyl chloride
CID 3164931
1-Propyl-1H-pyrazole-4-carbaldehyde
CID 4711792
1-Methyl-1H-pyrazole-4-carboxamide
CID 14579135
1-ethenyl-1H-pyrazole-4-carbaldehyde
CID 37134534
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319
1-(1-ethyl-1H-pyrazol-4-yl)ethanone
CID 4912928
1-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 5230536

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethylpyrazole-4-carboxamide (CID 22456653) is 1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethylpyrazole-4-carboxamide is CCn1cc(C(N)=O)cn1.
What is the InChIKey of 1-ethylpyrazole-4-carboxamide?
The InChIKey is DBKNNPVRCIDMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-9-4-5(3-8-9)6(7)10/h3-4H,2H2,1H3,(H2,7,10).
What are the key properties of 1-ethylpyrazole-4-carboxamide?
1-ethylpyrazole-4-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 22456653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).